Aminovinylidene: A Stable Surface Intermediate in the Dehydrogenation of Ethylamine on Pt(1 1 1)

Abstract

The midway point: The dehydrogenation of ethylamine on Pt(1 1 1) generates a stable surface intermediate, which was identified by reflection absorption infrared spectroscopy and density functional theory calculations as aminovinylidene. It is a novel surface species with a π‐bond delocalized across its three atomic centers.

Amination of isopropanol to isopropylamine over a highly basic and active Ni/LaAlSiO catalyst

“…The band around 1653 cm À1 might be attributed to the stretching vibration of C@N, indicating the trend of dehydrogenation of IPA to form imine species on acidic and Ni sites. The bands at 1593 and 1544 cm À1 were owing to the stretching and deformation vibrations of ANH 2 , respectively [37,[40][41][42]. It is worth mentioning that the intensities of the band around 1653 cm À1 for C@N were lower on the AlSiO and Ni/LaAlSiO than on the Ni/AlSiO, implying that the dehydrogenation of amine to imine might be enhanced on Ni as compared to the acidic support, but might be diminished by the surface basicity.…”

Orbital-selective single molecule reactions on a metal surface studied using low-temperature scanning tunneling microscopy

“…A stable aminovinylidene species, CCHNH 2 , was recently identified in the dehydrogenation of ethylamine to acetonitrile on Pt(111). 20 However, this species has a more upright geometry (Z 2 -(C,N)) than acetonitrile and would likely appear larger, in contrast to what is observed for species C 0 . We therefore assume that C 0 is a dehydrogenation product.…”

Spectroscopic Identification of Surface Intermediates in the Decomposition of Methylamine on Ru(001)

“…The theoretical calculations, including geometry optimization and vibrational frequency analysis, were performed using the Gaussian 09 DFT package with the B3LYP hybrid functional. − We used the same method as that described in Waluyo et al The C, N, and H atoms were described with a 6-311G­(d,p) basis set. The core electrons of the Ru atoms were represented by the Hay–Wadt pseudopotential, and the valence shells were described using a double-ζ basis set .…”